1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide

C24H31N5O2 — CID 138041926

IUPAC1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H31N5O2/c30-23(26-22-10-14-28(15-11-22)18-19-6-12-25-13-7-19)20-8-16-29(17-9-20)24(31)27-21-4-2-1-3-5-21/h1-7,12-13,20,22H,8-11,14-18H2,(H,26,30)(H,27,31)
InChIKeyVDMNZNHSTOGYFK-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.11
Rot. Bonds5

About 1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide

1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide (PubChem CID 138041926) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
PubChem CID138041926
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H31N5O2/c30-23(26-22-10-14-28(15-11-22)18-19-6-12-25-13-7-19)20-8-16-29(17-9-20)24(31)27-21-4-2-1-3-5-21/h1-7,12-13,20,22H,8-11,14-18H2,(H,26,30)(H,27,31)
InChIKeyVDMNZNHSTOGYFK-UHFFFAOYSA-N
XLogP3.11
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 26447107
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-(naphthalene-1-carbonyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 134042483
N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384645
4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide
CID 48957087
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848169
4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 11576501
N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride
CID 119700260
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72879272

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide (CID 138041926) is 1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide is O=C(NC1CCN(Cc2ccncc2)CC1)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide?
The InChIKey is VDMNZNHSTOGYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c30-23(26-22-10-14-28(15-11-22)18-19-6-12-25-13-7-19)20-8-16-29(17-9-20)24(31)27-21-4-2-1-3-5-21/h1-7,12-13,20,22H,8-11,14-18H2,(H,26,30)(H,27,31).
What are the key properties of 1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide?
1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide has a molecular weight of 421.55 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 138041926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).